N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

C58H36N2O2 — CID 171737568

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-n2c3ccccc3c3c(-c4cccc(N(c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5cccc6oc7c8ccccc8ccc7c56)c4)cccc32)cc1
InChIInChI=1S/C58H36N2O2/c1-2-16-40(17-3-1)60-50-25-8-6-21-48(50)55-43(22-12-26-51(55)60)39-15-10-18-42(36-39)59(52-27-13-29-54-56(52)49-35-32-37-14-4-5-19-44(37)58(49)62-54)41-33-30-38(31-34-41)45-23-11-24-47-46-20-7-9-28-53(46)61-57(45)47/h1-36H
InChIKeyDHQBUVOLBWHFAW-UHFFFAOYSA-N
MW792.94 g/mol
LogP16.54
Rot. Bonds6

About N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171737568) has the molecular formula C58H36N2O2 and a molecular weight of 792.94 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171737568
Molecular FormulaC58H36N2O2
Molecular Weight792.94 g/mol
Exact Mass792.28
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-n2c3ccccc3c3c(-c4cccc(N(c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5cccc6oc7c8ccccc8ccc7c56)c4)cccc32)cc1
InChIInChI=1S/C58H36N2O2/c1-2-16-40(17-3-1)60-50-25-8-6-21-48(50)55-43(22-12-26-51(55)60)39-15-10-18-42(36-39)59(52-27-13-29-54-56(52)49-35-32-37-14-4-5-19-44(37)58(49)62-54)41-33-30-38(31-34-41)45-23-11-24-47-46-20-7-9-28-53(46)61-57(45)47/h1-36H
InChIKeyDHQBUVOLBWHFAW-UHFFFAOYSA-N
XLogP16.54
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.94
LogP ≤ 516.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738743
N-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737618
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737943
N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737351
N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 163860911
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737415
N-(3-dibenzothiophen-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739309
N-(3-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine
CID 171737636
N-(3-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine
CID 169283939
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170272106
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739231
N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 171737667

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (CID 171737568) is N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is c1ccc(-n2c3ccccc3c3c(-c4cccc(N(c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5cccc6oc7c8ccccc8ccc7c56)c4)cccc32)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is DHQBUVOLBWHFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2O2/c1-2-16-40(17-3-1)60-50-25-8-6-21-48(50)55-43(22-12-26-51(55)60)39-15-10-18-42(36-39)59(52-27-13-29-54-56(52)49-35-32-37-14-4-5-19-44(37)58(49)62-54)41-33-30-38(31-34-41)45-23-11-24-47-46-20-7-9-28-53(46)61-57(45)47/h1-36H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 792.94 g/mol, XLogP of 16.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171737568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).